SCHEMBL11428748

SCHEMBL11428748

Cc1ccc(C(=O)Nc2ccc3cc(S(=O)(=O)O)cc(O)c3c2)cc1[N+](=O)[O-]

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ NT5E P21589 1/20 0.55
▸ MEN1 O00255 8/20 0.53
▸ KMT2A Q03164 8/20 0.53
▸ SMN1; SMN2 Q16637 4/20 0.53
▸ NPC1 O15118 3/20 0.53
▸ RAB9A P51151 3/20 0.53
▸ CTDSP1 Q9GZU7 2/20 0.53
▸ CASP6 P55212 1/20 0.53
▸ MAPT P10636 9/20 0.52
▸ LMNA P02545 5/20 0.52
▸ MAPK1 P28482 1/20 0.52
▸ ATM Q13315 1/20 0.52
▸ TDP1 Q9NUW8 1/20 0.52
▸ ALDH1A1 P00352 5/20 0.52
▸ GAA P10253 2/20 0.52
▸ POLB P06746 1/20 0.50
▸ ENPP2 Q13822 1/20 0.49
▸ CYP1A2 P05177 1/20 0.49
▸ CYP3A4 P08684 1/20 0.49
▸ CYP2D6 P10635 1/20 0.49

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL11437157 0.93 MEN1 (0.54) MEN1KMT2ASMN1; SMN2NPC1RAB9A
SCHEMBL11436275 0.93 CTDSP1 (0.62) MEN1KMT2ASMN1; SMN2NPC1RAB9A
SCHEMBL11431540 0.92 MEN1 (0.55) NT5EMEN1KMT2ASMN1; SMN2NPC1
SCHEMBL11208448 0.91 MEN1 (0.52) MEN1KMT2ASMN1; SMN2NPC1RAB9A
SCHEMBL11424230 0.88 MEN1 (0.55) MEN1KMT2ASMN1; SMN2NPC1RAB9A
SCHEMBL11432108 0.85 MAPT (0.55) MEN1KMT2ASMN1; SMN2NPC1RAB9A
SCHEMBL11439173 0.85 MEN1 (0.53) NT5EMEN1KMT2ASMN1; SMN2NPC1
SCHEMBL11426296 0.85 MAPT (0.55) MEN1KMT2ASMN1; SMN2NPC1RAB9A
SCHEMBL11426438 0.85 MEN1 (0.54) MEN1KMT2ASMN1; SMN2NPC1RAB9A
SCHEMBL11433700 0.85 MAPT (0.55) MEN1KMT2ASMN1; SMN2NPC1RAB9A

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-4216166-A Nitro precursors to amine precursors to ureide inhibitors of connective tissue destruction AMERICAN CYANAMID COMPANY (US) 1980-08-05 — — US disclosed
Send feedback